methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]ammonium Formula: C19H27N4S+ MolecularWeight: 343.50948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H26N4S/c1-22(13-16-7-4-3-5-8-16)18-9-6-10-23(15-18)14-17-11-20-19(24-2)21-12-17/h3-5,7-8,11-12,18H,6,9-10,13-15H2,1-2H3/p+1/t18-/m0/s1